中国科学院研究生院学报
中國科學院研究生院學報
중국과학원연구생원학보
JOURNAL OF THE GRADUATE SCHOOL OF THE CHINESE ACADEMY OF SCIENCES
2009年
2期
280-287
,共8页
老年痴呆症%分子动力学模拟%β-淀粉样多肽%乙酰胆碱酯酶/石杉碱甲%烟碱乙酰胆碱受体
老年癡呆癥%分子動力學模擬%β-澱粉樣多肽%乙酰膽堿酯酶/石杉堿甲%煙堿乙酰膽堿受體
노년치태증%분자동역학모의%β-정분양다태%을선담감지매/석삼감갑%연감을선담감수체
Alzheimer's disease%molecular dynamics simulation%β-amyloid peptide%acetylcholinesterase/huperzine A%nicotinic acetylcholine receptor
主要运用常规和拉伸分子动力学模拟方法,研究β-淀粉样多肽的构象变化过程、乙酰胆碱酯酶和其抑制剂石杉碱甲的结合与解离过程,以及烟碱乙酰胆碱受体的离子门控构象变化过程,从而为老年痴呆症的病变机理,阐述和设计发现新的抗老年痴呆药物提供线索.
主要運用常規和拉伸分子動力學模擬方法,研究β-澱粉樣多肽的構象變化過程、乙酰膽堿酯酶和其抑製劑石杉堿甲的結閤與解離過程,以及煙堿乙酰膽堿受體的離子門控構象變化過程,從而為老年癡呆癥的病變機理,闡述和設計髮現新的抗老年癡呆藥物提供線索.
주요운용상규화랍신분자동역학모의방법,연구β-정분양다태적구상변화과정、을선담감지매화기억제제석삼감갑적결합여해리과정,이급연감을선담감수체적리자문공구상변화과정,종이위노년치태증적병변궤리,천술화설계발현신적항노년치태약물제공선색.
In the present thesis, the conformational changes of β-amyloid peptide, the dynamic binding and unbinding processes of huperzine A to acetylcholinesterase, and the conformational movement associated with the open or close gating mechanism of nicotinic acetylcholine receptor have been investigated using conventional and/or steered molecular dynamics simulations, gaining new and useful insights for the pathogenetic mechanism of Alzheimer' s disease (AD), and providing new clues for discovering new anti-AD drugs.
